(E)-1-ethoxy-2-ethylsulfanylethene

C6H12OS — CID 5463286

IUPAC(E)-1-ethoxy-2-ethylsulfanylethene
SMILESCCO/C=C/SCC
InChIInChI=1S/C6H12OS/c1-3-7-5-6-8-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyPGFRDWXAZUFOAF-AATRIKPKSA-N
MW132.23 g/mol
LogP2.25
Rot. Bonds4

About (E)-1-ethoxy-2-ethylsulfanylethene

(E)-1-ethoxy-2-ethylsulfanylethene (PubChem CID 5463286) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (E)-1-ethoxy-2-ethylsulfanylethene.

Molecular Properties

Compound Name(E)-1-ethoxy-2-ethylsulfanylethene
PubChem CID5463286
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(E)-1-ethoxy-2-ethylsulfanylethene
SMILESCCO/C=C/SCC
InChIInChI=1S/C6H12OS/c1-3-7-5-6-8-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyPGFRDWXAZUFOAF-AATRIKPKSA-N
XLogP2.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-ethoxy-2-ethylsulfanylethene?
The IUPAC name of (E)-1-ethoxy-2-ethylsulfanylethene (CID 5463286) is (E)-1-ethoxy-2-ethylsulfanylethene.
What is the SMILES notation for (E)-1-ethoxy-2-ethylsulfanylethene?
The canonical SMILES for (E)-1-ethoxy-2-ethylsulfanylethene is CCO/C=C/SCC.
What is the InChIKey of (E)-1-ethoxy-2-ethylsulfanylethene?
The InChIKey is PGFRDWXAZUFOAF-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12OS/c1-3-7-5-6-8-4-2/h5-6H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-1-ethoxy-2-ethylsulfanylethene?
(E)-1-ethoxy-2-ethylsulfanylethene has a molecular weight of 132.23 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxy-2-ethylsulfanylethene is sourced from PubChem (CID 5463286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).